[CP2K-user] [CP2K:11412] Basis Sets of Strontium

[Rizwan Nabi]

Dear Ahad Ali Khan

You can find the Basis set for Sr in the BASIS_MOLOPT file.
like      ../../cp2k-6.1.0/tests/QS/BASIS_MOLOPT



Regards
Rizwan Nabi
Senior Research Scholar,
c/o Prof. Gopalan Rajaraman
Department of Chemistry,
IIT-Bombay, Powai,
Mumbai 400076


On Wed, Mar 13, 2019 at 3:29 PM <ahadal... at gmail.com> wrote:

> Dear cp2k users,
>
> I am working on Strontium ferrite for various measurements. Initial
> problem right now i am facing is the BASIS_SET (DZV-GTH-PADE) of Strontium,
> there are no Basis Sets of Strontium. Can anyone tell me how to generate
> Basis Sets of Strontium?
>
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